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ADAP-GC 4.0: Application of Clustering-Assisted Multivariate Curve Resolution to Spectral Deconvolution of Gas Chromatography–Mass Spectrometry Metabolomics Data
We report a multivariate curve resolution (MCR)-based spectral deconvolution workflow for untargeted gas chromatography–mass spectrometry metabolomics. As an essential step in preprocessing such data, spectral deconvolution computationally separates ions that are in the same mass spectrum but belong...
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| Udgivet i: | Anal Chem |
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| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2019
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6705124/ https://ncbi.nlm.nih.gov/pubmed/31274283 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.analchem.9b01424 |
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